结构:Fc1c(F)c(F)c(CBr)c(F)c1F
HCID74484

Pentafluorobenzyl bromide

1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene

C7H2BrF5260.99 g/molCAS 1765-40-8

IDENTITY

结构与身份

标准 SMILES
Fc1c(F)c(F)c(CBr)c(F)c1F
InChIKey
XDEPVFFKOVDUNO-UHFFFAOYSA-N
分子式
C7H2BrF5
平均分子量
260.99 g/mol
单同位素质量
259.926

COMPUTED

结构计算性质

已同步
XLogP
3
极性表面积
0 Ų
氢键供体
0
氢键受体
5
可旋转键
1
重原子
13
形式电荷
0
复杂度
162

PROPERTIES

实验与物化性质

来源:PubChem
Physical Description

Colorless liquid; mp = 18-20 deg C; [Alfa Aesar MSDS]

Kovats Retention Index

991

GHS

GHS 分类

来源:PubChem
GHS Classification

Danger

H314 (96.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H319 (12.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (12.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Chemical: Benzene, (bromomethyl)pentafluoro-

2,3,4,5,6-Pentafluorobenzylbromide: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary

Hydrolyzed by water; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Hexafluorobenzene.

Hazard Classes and Categories

Skin Corr. 1B (96.4%);Eye Irrit. 2 (12.7%);STOT SE 3 (12.7%)

TOXICITY

毒理信息

来源:PubChem
Adverse Effects

Dermatotoxin - Skin burns.;Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.;Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: Benzene, (bromomethyl)pentafluoro-

2,3,4,5,6-Pentafluorobenzylbromide: Does not have an individual approval but may be used under an appropriate group standard

ALIASES

名称与别名

59
1765-40-8Pentafluorobenzyl bromide(Bromomethyl)pentafluorobenzeneBENZENE, (BROMOMETHYL)PENTAFLUORO-PFBBRV5VL554GFPNSC-96888DTXSID50170146RefChem:859805DTXCID8092637217-182-42,3,4,5,6-Pentafluorobenzyl bromide1-(Bromomethyl)-2,3,4,5,6-pentafluorobenzenealpha-Bromo-2,3,4,5,6-pentafluorotoluene1-BromomethylpentafluorobenzeneBENZENE, 1-(BROMOMETHYL)-2,3,4,5,6-PENTAFLUORO-2,3,4,5,6-pentafluorobenzylbromidepentafluorobenzylbromideMFCD00000299Toluene, alpha-bromo-2,3,4,5,6-pentafluoro-

REACTIONS

参与反应

30
HRID147538

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 147538 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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